5O48
P.vivax NMT with an aminomethylindazole inhibitor bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-03-08 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9173 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.565, 121.983, 178.247 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 100.670 - 1.690 |
| R-factor | 0.17501 |
| Rwork | 0.174 |
| R-free | 0.19993 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.291 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0033) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 101.000 | 1.720 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.134 | 0.880 |
| Number of reflections | 139707 | |
| <I/σ(I)> | 9.7 | |
| Completeness [%] | 99.2 | 99.9 |
| Redundancy | 6.7 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M AS, 25% PEG 3350, 0.1 M Bis-Tris |
